Dataset

Propachlor

This MassBank record with Accession MSBNK-Athens_Univ-AU362203 contains the MS2 mass spectrum of Propachlor with the InChIkey MFOUDYKPLGXPGO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES CC(C)N(C(=O)CCl)C1=CC=CC=C1
InChI Key MFOUDYKPLGXPGO-UHFFFAOYSA-N
Molecular Formula C11H14ClNO
Exact Mass 211.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU362203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:12:13.351241
MetadataModified 2025-02-08T19:13:15.458970
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5126926361 Mcule
14797730 PubChem: Thomson Pharma
1918-16-7 ACToR
015443A483 FDA SRS
4931 PubChem
SCHEMBL65571 SureChEMBL
DUSZOH CCDC
J3.384G Nikkaji
DTXSID4024274 EPA CompTox Dashboard
ZINC000002039117 ZINC
508547 eMolecules
CB9726635 ChemicalBook
19503 ChEBI
C18759 KEGG Ligand
CHEMBL1394829 ChEMBL
The data in this table is sourced from UniChem at EBI.